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Fixed eello5, eello6, eturn6, and shortrange RESPA
[unres.git]
/
source
/
unres
/
src_MD-M
/
int_to_cart.f
diff --git
a/source/unres/src_MD-M/int_to_cart.f
b/source/unres/src_MD-M/int_to_cart.f
index
106458e
..
d3a8a92
100644
(file)
--- a/
source/unres/src_MD-M/int_to_cart.f
+++ b/
source/unres/src_MD-M/int_to_cart.f
@@
-276,13
+276,13
@@
c Settind dE/ddnres
enddo
endif
c The side-chain vector derivatives
enddo
endif
c The side-chain vector derivatives
- if (SELFGUIDE.gt.0) then
- do j=1,3
+C if (SELFGUIDE.gt.0) then
+C do j=1,3
C gcart(j,afmbeg)=gcart(j,afmbeg)+gcart(j,afmend)
C gcart(j,afmbeg)=gcart(j,afmbeg)+gcart(j,afmend)
- gcart(j,afmbeg)=0.0d0
- gcart(j,afmend)=0.0d0
- enddo
- endif
+C gcart(j,afmbeg)=0.0d0
+C gcart(j,afmend)=0.0d0
+C enddo
+C endif
return
end
return
end